⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13213381 | 1.00 | — | — | |
| SCHEMBL17900058 | 1.00 | — | — | |
| SCHEMBL12257891 | 0.92 | EPHX1 (0.46) | — | |
| SCHEMBL18455001 | 0.92 | EPHX1 (0.46) | — | |
| SCHEMBL23784041 | 0.92 | EPHX1 (0.46) | — | |
| SCHEMBL14048792 | 0.90 | EPHX1 (0.50) | — | |
| SCHEMBL24319959 | 0.90 | EPHX1 (0.50) | — | |
| SCHEMBL13343274 | 0.90 | EPHX1 (0.50) | — | |
| SCHEMBL14548912 | 0.90 | EPHX1 (0.50) | — | |
| SCHEMBL14303262 | 0.83 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3159345-A1 | INHIBITORS OF HEPATITIS C VIRUS | Gilead Sciences, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |
| US-9487509-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-11-08 | — | — | US | disclosed |
| US-9440938-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2016-09-13 | — | — | US | disclosed |
| US-20160045503-A1 | FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS | PRINCIPIA BIOPHARMA INC. | 2016-02-18 | — | — | US | disclosed |
| US-20150265618-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC | 2015-09-24 | — | — | US | disclosed |
| US-9133219-B2 | Bicyclic antibiotics | BASILEA PHARMACEUTICA AG (CH) | 2015-09-15 | — | — | US | disclosed |
| US-20150158833-A1 | SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY | SHIONOGI & CO (JP) | 2015-06-11 | — | — | US | disclosed |
| US-20150080373-A1 | NOVEL BICYCLIC ANTIBIOTICS | Basiliea Pharmaceutica AG | 2015-03-19 | — | — | US | disclosed |
| US-8940744-B2 | Pyrazolopyrimidine compounds as kinase inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2015-01-27 | — | — | US | disclosed |
| US-20140364410-A1 | PYRAZOLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. | 2014-12-11 | — | — | US | disclosed |
| US-20140275074-A1 | HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-09-18 | — | — | US | disclosed |
| US-20140066420-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-06 | — | — | US | disclosed |
| US-8623903-B2 | Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2014-01-07 | — | — | US | disclosed |
| US-20130158043-A1 | PAK INHIBITORS FOR THE TREATMENT OF CANCER | AFRAXIS, INC. (US) | 2013-06-20 | — | — | US | disclosed |
| WO-2007010080-A2 | NOVEL CARBOSILANE DENDRIMERS, PREPARATION METHOD THEREOF AND USE OF SAME | DENDRICO, S.L. (ES) | 2007-01-25 | — | — | WO | disclosed |
| US-4089865-A | Certain thiazole compounds | SYNTEX (U.S.A.) INC. (US) | 1978-05-16 | — | — | US | disclosed |
| US-4001421-A | THIAZOLE CARDIOVASCULAR AGENTS | SYNTEX (U.S.A.) INC. (US) | 1977-01-04 | — | — | US | disclosed |